ChemSpider 2D Image | (+)-terpinyl isobutyrate | C14H24O2

(+)-terpinyl isobutyrate

  • Molecular FormulaC14H24O2
  • Average mass224.339 Da
  • Monoisotopic mass224.177628 Da
  • ChemSpider ID32698066

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(+)-terpinyl isobutyrate
2-[(1S)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl 2-methylpropanoate [ACD/IUPAC Name]
2-[(1S)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de 2-[(1S)-4-méthyl-3-cyclohexén-1-yl]-2-propanyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, 1-methyl-1-[(1S)-4-methyl-3-cyclohexen-1-yl]ethyl ester [ACD/Index Name]
231-878-5 [EINECS]
7774-65-4 [RN]
terpinyl isobutyrate
TERPINYL ISOBUTYRATE, (+)-
UNII-Z55SZR66DG

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6H6K4G0IET [DBID]
UNII:6H6K4G0IET [DBID]
UNII-6H6K4G0IET [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 272.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 85.6±17.1 °C
Index of Refraction: 1.467
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1385.26
ACD/KOC (pH 5.5): 6170.29
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1385.26
ACD/KOC (pH 7.4): 6170.29
Polar Surface Area: 26 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 237.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement